SCHEMBL4354577

SCHEMBL4354577

O=[N+]([O-])c1cccc(Nc2ncnc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 1.00
EGFR P00533 10/20 0.70
POLB P06746 2/20 0.65
KMT2A Q03164 2/20 0.65
PDE5A O76074 1/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
DUSP3 P51452 1/20 0.65
PTPN5 P54829 1/20 0.65
PTPN11 Q06124 1/20 0.65
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FADS1 O60427 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17124151 0.86 EGFR (0.84) ABCG2EGFRPOLBKMT2AMEN1
SCHEMBL29116258 0.85 ABCG2 (0.74) ABCG2EGFRPOLBKMT2AMEN1
SCHEMBL18996627 0.83 EGFR (1.00) ABCG2EGFRPOLBKMT2AMEN1
SCHEMBL1192454 0.83 EGFR (1.00) ABCG2EGFRPOLBKMT2AMEN1
SCHEMBL6837339 0.82 EGFR (1.00) ABCG2EGFR
SCHEMBL18349251 0.81 EGFR (0.77) ABCG2EGFRKMT2AMEN1ALDH1A1
SCHEMBL2099212 0.81 ABCG2 (1.00) ABCG2EGFRKMT2AMEN1KDM4E
SCHEMBL3244621 0.80 EGFR (1.00) ABCG2EGFR
SCHEMBL8871973 0.80 EGFR (0.83) ABCG2EGFRKMT2AMEN1NPC1
SCHEMBL4587413 0.80 EGFR (0.83) ABCG2EGFRKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP claimed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO claimed
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP claimed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO disclosed
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP disclosed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT ABCG2 311/4885EGFR 1445/4885POLB 1043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.